2-anilino-2-methylpentanoic acid

C12H17NO2 — CID 60992039

IUPAC2-anilino-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-9-12(2,11(14)15)13-10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyUQAGSWDFUVOQHM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.74
Rot. Bonds5

About 2-anilino-2-methylpentanoic acid

2-anilino-2-methylpentanoic acid (PubChem CID 60992039) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-anilino-2-methylpentanoic acid.

Molecular Properties

Compound Name2-anilino-2-methylpentanoic acid
PubChem CID60992039
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-anilino-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-9-12(2,11(14)15)13-10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyUQAGSWDFUVOQHM-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-(3,4-dimethylanilino)-2-methylpentanoic acid
CID 71564825
3-anilino-3-methyl-4-phenylbutan-2-one
CID 131859757
methyl 2-anilino-2-methyloctanoate
CID 54890030
2-anilino-2-methylpentan-1-ol
CID 61046243
ethyl 2-anilino-2-methylheptanoate
CID 80558019
2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832037
2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510
2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
CID 114990583
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-(4-bromoanilino)-2-methylnonanoic acid
CID 60993267
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
CID 65055783

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methylpentanoic acid?
The IUPAC name of 2-anilino-2-methylpentanoic acid (CID 60992039) is 2-anilino-2-methylpentanoic acid.
What is the SMILES notation for 2-anilino-2-methylpentanoic acid?
The canonical SMILES for 2-anilino-2-methylpentanoic acid is CCCC(C)(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-2-methylpentanoic acid?
The InChIKey is UQAGSWDFUVOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-12(2,11(14)15)13-10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 2-anilino-2-methylpentanoic acid?
2-anilino-2-methylpentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methylpentanoic acid is sourced from PubChem (CID 60992039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).